A Simple Algorithm for Superimposing Sets of NMR Derived Structures: Its Application to the Conformational Study of Cephalomannine in Lipophobic and Lipophilic Solution.
Guillermo MoynaSanjai MediwalaHoward J. WilliamsA. I. ScottPublished in: J. Chem. Inf. Comput. Sci. (1996)
Keyphrases
- optimal solution
- times faster
- detection algorithm
- learning algorithm
- experimental study
- objective function
- computational complexity
- mathematical model
- experimental evaluation
- high accuracy
- optimization algorithm
- theoretical analysis
- locally optimal
- solution quality
- search strategy
- matching algorithm
- computational cost
- np hard
- cost function
- preprocessing
- dynamic programming
- tree structure
- exact solution
- k means
- improved algorithm
- high resolution
- similarity measure
- global solution
- iterative procedure
- convergence rate
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- ant colony optimization
- simulated annealing